Basic information
- Standard SMILES
COc1cc(OC)c(-c2cccs2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1- InChIKey
YOSXFHPLAAXVLN-MDZDMXLPSA-N- Molecular formula
- C22H18O5S
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- 4-[3E-(2,4-Dimethoxy-5-thiophen-2-yl-phenyl)-acryloyl]-benzoic acid
- IUPAC
- 4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid
Names & synonyms
CHEMBL220328SCHEMBL4727718YOSXFHPLAAXVLN-MDZDMXLPSA-N4-[3E-(2,4-Dimethoxy-5-thiophen-2-yl-phenyl)-acryloyl]-benzoic acid
Database identifiers
- PubChem CID
- 10309595
- ChEMBL
CHEMBL220328
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
1 records
Compound notes
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